2,6-diamino-4-(2,4,6-trimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
Chemical Structure Depiction of
2,6-diamino-4-(2,4,6-trimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
2,6-diamino-4-(2,4,6-trimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile
Compound characteristics
| Compound ID: | Y500-0288 |
| Compound Name: | 2,6-diamino-4-(2,4,6-trimethoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile |
| Molecular Weight: | 344.39 |
| Molecular Formula: | C16 H16 N4 O3 S |
| Smiles: | COc1cc(c(C2C(C#N)=C(N)SC(=C2C#N)N)c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 1.5888 |
| logD: | 1.5888 |
| logSw: | -1.8434 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 97.227 |
| InChI Key: | YRRVELKJCUWFCZ-UHFFFAOYSA-N |